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GPCR

Name	Mas-related G-protein coupled receptor member X1
Species	Homo sapiens (Human)
Gene	MRGPRX1
Synonym	Sensory neuron-specific G-protein coupled receptor 4 Sensory neuron-specific G-protein coupled receptor 3/4 MRGX1 MRGPRX1 Mrgprc11 Mrgprc Mrgprb2 Mrgc SNSR4 [ Show all ]
Disease	N/A
Length	322
Amino acid sequence	MDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ
UniProt	Q96LB2
Protein Data Bank	N/A
GPCR-HGmod model	Q96LB2
3D structure model	This predicted structure model is from GPCR-EXP Q96LB2.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5850
IUPHAR	156
DrugBank	N/A

Ligand

Name	chloroquine
Molecular formula	C18H26ClN3
IUPAC name	4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Molecular weight	319.877
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.6
Synonyms	1,4-pentanediamine, N~4~-(7-chloro-4-quinolinyl)-N~1~,N~1~-diethyl-, phosphate (1:2) Cidanchin 58175-86-3 CS-W004760 AC1Q2ZA7 Delagil (Salt/Mix) Arechin FT-0623612 Avloclor HSDB 3029 Benaquin KBio2_003160 C07625 KS-00000F97 Chingamin 1, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl- Chloroquine, (R)- NCGC00015256-03 UNII-WE58C2WV1T NCGC00015256-13 {4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine Nivaquine B Prestwick2_000548 Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)- Resoquine RP 3377 Siragan MCULE-3610827164 SPBio_002516 N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine ST2401962 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Cloroquina AB00053436 D02366 AKOS015935106 DTXSID2040446 Arequin Gontochin phosphate BDBM22985 Ipsen 225 BRD-A91699651-065-01-1 KBioGR_000778 CCG-204391 LS-141726 Chlorochine (+)-N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine Chloroquine + Proveblue 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl- Chloroquine, D- Tanakan (Salt/Mix) NCGC00015256-06 WHTVZRBIWZFKQO-UHFFFAOYSA-N NCI60_000894 NSC14050 Quinagamin Quinoscan Reumaquin SBB072644 SN 7618 MLS-0466768.0001 Spectrum4_000279 N(sup4)-(7-chloro-4-quinolinyl)-N(sup1),N(sup1)-diethyl-1,4-pentanediamine Chloroquinum [INN-Latin] Cocartrit AB00053436_07 DB00608 Aralen EN300-120683 Artrichin Heliopar Bemaphate (Salt/Mix) KBio1_000404 BSPBio_000595 Khingamin CHEMBL76 Chloroquin (.+/-.)-Chloroquine Chloroquine [USAN:INN:BAN] 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (4R)- N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine Trochin NCGC00015256-09 ZX-AN024208 Nivachine Prestwick0_000548 Quingamine Resochin (TN) Ronaquine SCHEMBL8933 Malaren Sopaquin N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine ST 21 3377 RP opalate Clorochina 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline CTK1H1520 AC1Q2ZA8 Dichinalex Arechin (Salt/Mix) GNF-Pf-4216 AX8105532 IDI1_000404 Bipiquin KBio2_005728 C18H26ClN3 Lapaquin Chloraquine ( -)-Chloroquine Chloroquine (USP/INN) 1,4-Pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl- Chloroquine, (S)- NCGC00015256-04 W 7618 NCGC00015256-17 NSC 187208 Prestwick3_000548 Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)- Resoquine (Salt/Mix) RP-3377 SMP2_000034 Mesylith Spectrum2_000127 N(sup 4)-(7-Chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-1,4-pentanediamine ST45028748 Chloroquinium 4CH-019706 Cloroquina [INN-Spanish] AB00053436-05 D09EGZ ALBB-025694 EINECS 200-191-2 Arolen GTPL5535 Bemaco Iroquine BRD-A91699651-316-06-7 KBioSS_000592 CCRIS 3439 Chlorochinum (+-)-Chloroquine Chloroquine Bis-Phosphoric Acid 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (+)- Tanakene NCGC00015256-07 WIN 244 Neochin NSC187208 Quinagamine Resochen Rivoquine SBI-0050284.P004 Malaquin SN-7618 MolMap_000009 Spectrum5_000707 N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine Chlorquin 56598-66-4 CQ AC1L1EB8 Delagil Aralen HCl Epitope ID:131785 Avlochlor HMS2090O03 Bemasulph KBio2_000592 BSPBio_002001 Klorokin Chemochin Chloroquina (R)-(-)-Chloroquine Chloroquine [USP:INN:BAN] 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (R)- NCGC00015256-02 UNII-34P96M7C4K NCGC00015256-10 {4-[(7-chloro(4-quinolyl))amino]pentyl}diethylamine Nivaquine Prestwick1_000548 Quinilon Resoquina Roquine Silbesan Malarex SPBio_000174 N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine ST 21 (pharmaceutical) 34P96M7C4K Clorochina [DCIT] 7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline CU-01000012392-2 AK116457 DivK1c_000404 Arechine Gontochin BC208405 Imagon BPBio1_000655 KBio3_001221 Capquin Lopac0_000296 Chlorochin (+)-Chloroquine Chloroquine (VAN) 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl- Chloroquine, 17 Tanakan NCGC00015256-05 WE58C2WV1T NCGC00162120-01 NSC-187208 Quinachlor Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]- Reumachlor Sanoquin SN 6718 Miniquine Spectrum3_000341 n(sup4)-(7-chloro-4-quinolinyl)-n(sup1),4-pentanediamine Chloroquinum 54-05-7 Cloroquine AB00053436_06 Dawaquin (TN) Amokin Elestol Arthrochin HCH0027872 Bemaphate KB-258556 BRN 0482809 KH-0005 CHEBI:3638 Chloroin (-)-Chloroquine Chloroquine FNA (TN) 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (-)- Tresochin NCGC00015256-08 WLN: T66 BNJ EMY1&3N2&2 IG NINDS_000404 Pfizerquine Quinercyl Resochin Ro 01-6014/N2 SC-48578 Malaquin (Diphosphate) Solprina MolPort-001-783-623 Spectrum_000132 N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine [ Show all ]
Inchi Key	WHTVZRBIWZFKQO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
PubChem CID	2719
ChEMBL	N/A
IUPHAR	5535
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	297000.0 nM	PMID20004959	IUPHAR

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